N-(2-chloro-3-pyridinyl)pyridazin-3-amine

C9H7ClN4 — CID 102275010

IUPACN-(2-chloro-3-pyridinyl)pyridazin-3-amine
SMILESClc1ncccc1Nc1cccnn1
InChIInChI=1S/C9H7ClN4/c10-9-7(3-1-5-11-9)13-8-4-2-6-12-14-8/h1-6H,(H,13,14)
InChIKeyQDUDJPVLZXUTDX-UHFFFAOYSA-N
MW206.64 g/mol
LogP2.27
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)pyridazin-3-amine

N-(2-chloro-3-pyridinyl)pyridazin-3-amine (PubChem CID 102275010) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)pyridazin-3-amine
PubChem CID102275010
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC NameN-(2-chloro-3-pyridinyl)pyridazin-3-amine
SMILESClc1ncccc1Nc1cccnn1
InChIInChI=1S/C9H7ClN4/c10-9-7(3-1-5-11-9)13-8-4-2-6-12-14-8/h1-6H,(H,13,14)
InChIKeyQDUDJPVLZXUTDX-UHFFFAOYSA-N
XLogP2.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)pyridazin-3-amine?
The IUPAC name of N-(2-chloro-3-pyridinyl)pyridazin-3-amine (CID 102275010) is N-(2-chloro-3-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)pyridazin-3-amine?
The canonical SMILES for N-(2-chloro-3-pyridinyl)pyridazin-3-amine is Clc1ncccc1Nc1cccnn1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)pyridazin-3-amine?
The InChIKey is QDUDJPVLZXUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c10-9-7(3-1-5-11-9)13-8-4-2-6-12-14-8/h1-6H,(H,13,14).
What are the key properties of N-(2-chloro-3-pyridinyl)pyridazin-3-amine?
N-(2-chloro-3-pyridinyl)pyridazin-3-amine has a molecular weight of 206.64 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 102275010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).